N-(2,5-dimethoxyphenyl)-2-[(4-naphthalen-1-yl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(4-naphthalen-1-yl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[[4-(1-naphthyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[4-(1-naphthalenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(4-naphthalen-1-yl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[[4-(1-naphthyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H23N5O3S/c1-34-20-10-11-24(35-2)22(16-20)29-25(33)17-36-27-31-30-26(19-12-14-28-15-13-19)32(27)23-9-5-7-18-6-3-4-8-21(18)23/h3-16H,17H2,1-2H3,(H,29,33)